Geometry & MOs

Info

ID:	121795
PubChem CID:	50781717
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	452.161518
ΔH_f, kcal/mol:	-147.55
Dipole, Da:	6.12
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)N1C)C)N2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations